Difference between revisions of "Holo-EntF"

Revision as of 13:10, 14 January 2021

common-name:
- 4α-methyl-5α-cholesta-7,24-dien-3β-ol
inchi-key:
- mupkqzrbzsoulx-sponxpensa-n
molecular-weight:
- 398.671
smiles:
- cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c)[c@h](cc=1)2)(c))cc[c@](c)34)))

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-11398 ==
+== Metabolite CPD-12860 ==
 * common-name:
-** l-thyroxine phenolic &beta;-d-glucuronide
+** 4&alpha;-methyl-5&alpha;-cholesta-7,24-dien-3&beta;-ol
-* smiles:
-** c(=o)([o-])c([n+])cc1(=cc(i)=c(c(i)=c1)oc3(c=c(i)c(oc2(oc(c(=o)[o-])c(o)c(o)c(o)2))=c(i)c=3))
 * inchi-key:
-** rghrjbikiyuhev-sgpdefqssa-m
+** mupkqzrbzsoulx-sponxpensa-n
 * molecular-weight:
-** 951.992
+** 398.671
+* smiles:
+** cc(c)=ccc[c@@h](c)[c@@h]3(cc[c@@h]4(c1([c@@h]([c@]2(cc[c@h](o)[c@@h](c)[c@h](cc=1)2)(c))cc[c@](c)34)))
 == Reaction(s) known to consume the compound ==
+* [[RXN-21833]]
+* [[RXN-21836]]
+* [[RXN11884]]
 == Reaction(s) known to produce the compound ==
-* [[RXN-10606]]
+* [[RXN11884]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=l-thyroxine phenolic &beta;-d-glucuronide}}
+{{#set: common-name=4&alpha;-methyl-5&alpha;-cholesta-7,24-dien-3&beta;-ol}}
-{{#set: inchi-key=inchikey=rghrjbikiyuhev-sgpdefqssa-m}}
+{{#set: inchi-key=inchikey=mupkqzrbzsoulx-sponxpensa-n}}
-{{#set: molecular-weight=951.992}}
+{{#set: molecular-weight=398.671}}